ethyl 4-(2-nitrophenyl)-2-propan-2-yl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-nitrophenyl)-2-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-isopropyl-4-(2-nitrophenyl)pyrimidine-5-carboxylate CAS Name: 4-(2-nitrophenyl)-2-propan-2-yl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-nitrophenyl)-2-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 2-isopropyl-4-(2-nitrophenyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC=CC=C2[N+](=O)[O-])C(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=CC=C2[N+](=O)[O-])C(C)C

InChI

InChI=1S/C16H17N3O4/c1-4-23-16(20)12-9-17-15(10(2)3)18-14(12)11-7-5-6-8-13(11)19(21)22/h5-10H,4H2,1-3H3